Detailed information for compound 151886

Basic information

Technical information
  • TDR Targets ID: 151886
  • Name: 8-methoxy-4-N-(2-methylphenyl)-2-N-phenethylq uinazoline-2,4-diamine
  • MW: 384.474 | Formula: C24H24N4O
  • H donors: 2 H acceptors: 2 LogP: 6.03 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc2c1nc(NCCc1ccccc1)nc2Nc1ccccc1C
  • InChi: 1S/C24H24N4O/c1-17-9-6-7-13-20(17)26-23-19-12-8-14-21(29-2)22(19)27-24(28-23)25-16-15-18-10-4-3-5-11-18/h3-14H,15-16H2,1-2H3,(H2,25,26,27,28)
  • InChiKey: AHPOACASTXGCJT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-methoxy-N4-(o-tolyl)-N2-phenethyl-quinazoline-2,4-diamine
  • 8-methoxy-N4-(o-tolyl)-N2-phenethylquinazoline-2,4-diamine
  • 8-methoxy-N4-(2-methylphenyl)-N2-phenethyl-quinazoline-2,4-diamine
  • [8-methoxy-4-(o-toluidino)quinazolin-2-yl]-phenethyl-amine
  • 8-methoxy-N'-(2-methylphenyl)-N-(2-phenylethyl)quinazoline-2,4-diamine
  • [8-methoxy-4-[(2-methylphenyl)amino]quinazolin-2-yl]-(2-phenylethyl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa Potassium-transporting ATPase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis nervana 2 Potassium-transporting ATPase   290 aa 280 aa 29.6 %
Drosophila melanogaster nervana 1 Potassium-transporting ATPase   290 aa 305 aa 23.9 %
Schistosoma japonicum Sodium/potassium-transporting ATPase subunit beta-1, putative Potassium-transporting ATPase   290 aa 258 aa 24.4 %
Schistosoma japonicum ko:K01540 Na+/K+-exchanging ATPase beta subunit [EC3.6.3.9B], putative Potassium-transporting ATPase   290 aa 258 aa 23.6 %
Loa Loa (eye worm) hypothetical protein Potassium-transporting ATPase   290 aa 301 aa 25.9 %
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit Potassium-transporting ATPase   290 aa 267 aa 21.3 %
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit Potassium-transporting ATPase   290 aa 267 aa 27.3 %
Onchocerca volvulus Glutamate carboxypeptidase 2 homolog Potassium-transporting ATPase   290 aa 301 aa 25.9 %
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit Potassium-transporting ATPase   290 aa 306 aa 26.1 %
Echinococcus granulosus sodium:potassium dependent atpase beta subunit Potassium-transporting ATPase   290 aa 267 aa 27.3 %
Echinococcus granulosus nervana 2 Potassium-transporting ATPase   290 aa 280 aa 29.3 %
Echinococcus granulosus sodium:potassium dependent atpase beta subunit Potassium-transporting ATPase   290 aa 266 aa 25.6 %
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit Potassium-transporting ATPase   290 aa 254 aa 23.6 %
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit Potassium-transporting ATPase   290 aa 266 aa 24.1 %
Schistosoma japonicum Sodium/potassium-transporting ATPase subunit beta, putative Potassium-transporting ATPase   290 aa 256 aa 25.4 %
Echinococcus multilocularis nervana 2 Potassium-transporting ATPase   290 aa 265 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis nervana 2 0.0026 0.0152 0.0095
Brugia malayi Membrane calcium atpase protein 3 0.0014 0.0058 0.0464
Brugia malayi calcium ATPase 0.0007 0.001 0.0078
Loa Loa (eye worm) E1-E2 ATPase 0.0011 0.0036 0.029
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0017 0.0085 1
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0017 0.0085 0.0027
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0017 0.0085 0.0222
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0017 0.0085 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0152 0.1212
Schistosoma mansoni transmemberane protein 0.0026 0.0152 0.0109
Trypanosoma cruzi P-type H+-ATPase, putative 0.0011 0.0036 0.4285
Trypanosoma cruzi P-type H+-ATPase, putative 0.0011 0.0036 0.4285
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0026 0.0152 0.0095
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0017 0.0085 0.0031
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0017 0.0085 0.0027
Trypanosoma cruzi plasma-membrane proton-efflux P-type ATPase, putative 0.0007 0.001 0.1147
Echinococcus granulosus nervana 2 0.0026 0.0152 0.0095
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0017 0.0085 0.0676
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0014 0.0058 0.6862
Entamoeba histolytica plasma membrane calcium-transporting ATPase 1, putative 0.001 0.0027 0.0136
Trypanosoma brucei P-type H+-ATPase, putative 0.0011 0.0036 0.3012
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0026 0.0152 0.0095
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0014 0.0058 0.4509
Trypanosoma cruzi calcium-translocating P-type ATPase, putative 0.0007 0.001 0.1147
Toxoplasma gondii kinesin motor domain-containing protein 0.0167 0.1257 1
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0014 0.0058 0.0389
Loa Loa (eye worm) hypothetical protein 0.0017 0.0085 0.0676
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0017 0.0085 0.0027
Brugia malayi E1-E2 ATPase family protein 0.0011 0.0036 0.029
Trichomonas vaginalis cation-transporting ATPase, putative 0.0017 0.0085 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0085 0.0676
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0017 0.0085 1
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0026 0.0152 0.0109
Loa Loa (eye worm) calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0008 0.0015 0.0123
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0017 0.0085 0.0603
Echinococcus granulosus nervana 2 0.0026 0.0152 0.0095
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0026 0.0152 0.0095
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0017 0.0085 0.0603
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0026 0.0152 0.0095
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0017 0.0085 0.0603
Loa Loa (eye worm) hypothetical protein 0.0007 0.001 0.0078
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0017 0.0085 1
Leishmania major calcium-transporting ATPase, putative 0.0014 0.0058 0.4509
Schistosoma mansoni ATPase 0.0017 0.0085 0.0031
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0017 0.0085 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0017 0.0085 1
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0014 0.0058 0.0464
Onchocerca volvulus 0.0026 0.0152 1
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0017 0.0085 0.0222
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0026 0.0152 0.0095
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0026 0.0152 0.0095
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0017 0.0085 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0017 0.0085 1
Echinococcus multilocularis kinesin family 1 0.1283 1 1
Brugia malayi Sodium/potassium-transporting ATPase alpha-3 chain, putative 0.0007 0.001 0.0078
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0014 0.0058 0.6862
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0017 0.0085 1
Echinococcus multilocularis nervana 2 0.0026 0.0152 0.0095
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0017 0.0085 0.0027
Mycobacterium tuberculosis Possible metal cation transporting P-type ATPase CtpH 0.0012 0.0042 0.5
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0017 0.0085 1
Leishmania major P-type ATPase, putative 0.0014 0.0058 0.4509
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0026 0.0152 0.0109
Trypanosoma cruzi calcium-transporting ATPase, putative 0.0008 0.0015 0.1822
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0012 0.0042 0.0335
Echinococcus multilocularis nervana 2 0.0026 0.0152 0.0095
Loa Loa (eye worm) kinesin-like protein KLP2 0.0167 0.1257 1
Trypanosoma brucei P-type H+-ATPase, putative 0.0011 0.0036 0.3012
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0017 0.0085 0.0027
Toxoplasma gondii P-type ATPase PMA1 0.0011 0.0036 0.0214
Echinococcus multilocularis nervana 2 0.0026 0.0152 0.0095
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0017 0.0085 1
Schistosoma mansoni kinesin eg-5 0.0167 0.1257 0.1388
Loa Loa (eye worm) calcium ATPase 0.001 0.0027 0.0212
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0026 0.0152 0.0095
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0017 0.0085 1
Schistosoma mansoni ATPase 0.0017 0.0085 0.0031
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0017 0.0085 1
Trypanosoma brucei calcium-translocating P-type ATPase 0.0014 0.0058 0.6163
Echinococcus granulosus nervana 2 0.0026 0.0152 0.0095
Loa Loa (eye worm) hypothetical protein 0.0008 0.0015 0.0123
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0017 0.0085 0.0603
Schistosoma mansoni hypothetical protein 0.1116 0.8695 1
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0017 0.0085 0.0027
Brugia malayi Kinesin motor domain containing protein 0.0167 0.1257 1
Giardia lamblia Kinesin-5 0.0167 0.1257 1
Leishmania major calcium-translocating P-type ATPase 0.0017 0.0085 1
Trypanosoma cruzi P-type H+-ATPase, putative 0.0007 0.001 0.1147
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0026 0.0152 0.0109
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0026 0.0152 0.0095
Plasmodium vivax kinesin-5 0.0167 0.1257 1
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.001 0.0027 0.0136
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0026 0.0152 0.0109
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0017 0.0085 1
Loa Loa (eye worm) sodium potassium adenosine triphosphatase 0.0007 0.001 0.0078
Trichomonas vaginalis cation-transporting ATPase, putative 0.0017 0.0085 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0017 0.0085 1
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.001 0.0027 0.0212
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0017 0.0085 1
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0012 0.0042 0.5
Entamoeba histolytica kinesin, putative 0.0167 0.1257 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0017 0.0085 0.0603
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0014 0.0058 0.6163
Loa Loa (eye worm) hypothetical protein 0.0026 0.0152 0.1212
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0012 0.0042 0.0335
Onchocerca volvulus 0.0026 0.0152 1
Plasmodium falciparum kinesin-5 0.0167 0.1257 1
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0008 0.0015 0.0123
Brugia malayi Na,K-ATPase alpha subunit 0.0017 0.0085 0.0676
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0017 0.0085 0.0603
Toxoplasma gondii P-type ATPase4, putative 0.0017 0.0085 0.0603
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0017 0.0085 1
Leishmania major calcium motive p-type ATPase, putative 0.0014 0.0058 0.4509
Echinococcus granulosus nervana 2 0.0026 0.0152 0.0095

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.2 uM Inhibition of K+ stimulated gastric ATPase activity ChEMBL. 7629814
IC50 (binding) = 3.2 uM Inhibition of K+ stimulated gastric ATPase activity ChEMBL. 7629814

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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